%chk=000041732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041732

0 1
 O   0.2854000       1.923700      -1.111400    
 N    2.036100     -0.5769000     -8.6999997E-02
 C    1.105500     -5.0200000E-02  0.9162000    
 C    1.641200       1.238400       1.565400    
 C  -0.2999000      9.5799997E-02  0.3680000    
 C    1.924200       2.410100      0.6221000    
 C    1.600400      -1.882800     -0.5526000    
 C   0.6887000       2.882300     -0.1305000    
 C  -0.6400000       1.051100     -0.6017000    
 C   -1.303400     -0.7847000      0.8054000    
 C    1.497000      -2.854100      0.6161000    
 C    2.544000      -2.409600      -1.626500    
 C   -2.597600     -0.7155000      0.2845000    
 C   -1.927700       1.106300      -1.143300    
 C   -2.908300      0.2271000     -0.6921000    
 C   -3.645800      -1.660900      0.7674000    
 H    1.066100     -0.7305000       1.775300    
 H    2.574700       1.004600       2.095300    
 H   0.9330000       1.574000       2.335500    
 H    2.318600       3.244000       1.214700    
 H    2.704900       2.123300     -9.2100002E-02
 H    2.970600     -0.6431000      0.3160000    
 H   0.6236000      -1.820500      -1.045500    
 H  -0.1301000       3.145500      0.5530000    
 H   0.9411000       3.796900     -0.6791000    
 H   -1.092000      -1.518400       1.578000    
 H    1.381600      -3.877500      0.2380000    
 H    2.409300      -2.849500       1.224900    
 H   0.6464000      -2.694700       1.276500    
 H    2.601700      -1.715600      -2.472600    
 H    2.196800      -3.374100      -2.012900    
 H    3.558100      -2.550400      -1.235600    
 H   -2.171500       1.836300      -1.910300    
 H   -3.908300      0.2832000      -1.113300    
 H   -3.524900      -1.867200       1.836300    
 H   -4.650100      -1.245000      0.6333000    
 H   -3.583100      -2.604400      0.2163000    


%chk=000041732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041732

0 1
O 0.184754 2.017135 -1.160043
N 1.937716 -0.604442 0.106232
C 0.986979 0.003220 1.072852
C 1.617393 1.313032 1.619957
C -0.401507 0.167264 0.439829
C 2.033743 2.330741 0.539079
C 1.632539 -1.941229 -0.462261
C 0.852461 2.945767 -0.222344
C -0.713496 1.073411 -0.614113
C -1.433739 -0.708037 0.870562
C 1.653479 -3.095702 0.579564
C 2.622300 -2.217986 -1.612701
C -2.723221 -0.741937 0.288455
C -1.988293 1.040831 -1.228530
C -2.979292 0.141265 -0.791402
C -3.797067 -1.686551 0.801589
H 0.831193 -0.651371 1.968225
H 2.514354 1.033870 2.211693
H 0.903924 1.779186 2.327742
H 2.594932 3.160741 1.015916
H 2.705623 1.848063 -0.193678
H 2.906099 -0.557139 0.456404
H 0.613657 -1.877180 -0.889212
H 0.096908 3.350986 0.484235
H 1.203238 3.762212 -0.876921
H -1.205217 -1.407108 1.687028
H 1.355062 -4.053452 0.113023
H 2.670745 -3.223185 0.999337
H 0.957922 -2.899560 1.416453
H 2.557749 -1.417244 -2.368967
H 2.406288 -3.187494 -2.097464
H 3.664426 -2.255478 -1.236424
H -2.177751 1.742966 -2.046931
H -3.960558 0.134159 -1.281791
H -3.367150 -2.484047 1.432631
H -4.547576 -1.149096 1.413497
H -4.342316 -2.169611 -0.029819


